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991.
Yumi N. Imai Yoshihisa Inoue Isao Nakanishi Kazuo Kitaura 《Journal of computational chemistry》2009,30(14):2267-2276
High‐level ab initio calculations have been carried out using a formamide–benzene model system to evaluate amide–π interactions. The interaction energies were estimated as a sum of the CCSD(T) correlation contribution and the HF energy at the complete basis set limit, for the geometries of the model structures at the energy minimum obtained by potential energy surface (PES) scans. NH/π geometry in a face‐on configuration was found to be the most attractive among the various geometries considered, with interaction energy of ?3.75 kcal/mol. An interaction energy of ?2.08 kcal/mol was calculated for the stacked N/Center type geometry, where the nitrogen atom of formamide points directly toward the center of the aromatic ring. The weakest C?O/π geometry, where a carbonyl oxygen atom points toward the plane of the aromatic ring, was found to have energy minimum at an intermolecular distance of 3.67 Å from the PES, with a repulsive interaction energy less than 1 kcal/mol. However, if there are simultaneous attractive interactions with other parts of the molecule besides the amide group, the weak repulsion could be easily overcome, to give a C?O/π geometry interaction. © 2009 Wiley Periodicals, Inc. J Comput Chem, 2009 相似文献
992.
Longitudinal acoustic (LA) phonon of Baltic, Dominican and Kuji ambers, amber-like rosin and synthetic acrylic resin has been investigated by means of Brillouin light scattering (BLS) at room temperature. We observed a pair of LA phonon peaks and a broad quasi-elastic scattering peak in backscattering spectra from ambers. The LA phonon frequencies were found to be 16.97–17.11 GHz for Baltic ambers, 17.23–17.68 GHz for Dominican ambers and 17.70–17.97 GHz for Kuji ambers, respectively. We would like to point out that the LA phonon frequency can be a good physical quantity to specify the amber-producing district. We also present a correlation between the BLS spectrum and infrared absorption spectrum of ambers and amber-like materials. 相似文献
993.
Hideyuki Oide 《Physics of Particles and Nuclei》2014,45(1):102-104
The PHENIX experiment has collected about 25 pb?1 longitudinally polarized p + p collisions at √s = 500 GeV in 2011 run for probing antiquark polarization. In this talk the first preliminary result of A L μ± is presented. 相似文献
994.
B. A. Marsh V. N. Fedosseev D. A. Fink T. Day Goodacre R. E. Rossel S. Rothe D. V. Fedorov N. Imai M. D. Seliverstov P. Molkanov 《Hyperfine Interactions》2014,227(1-3):101-111
Since 2011 the ISOLDE Resonance Ionization Laser Ion Source (RILIS) has comprised a dual system of three dye and three Ti:sapphire lasers capable of gap-free wavelength tuning from 210 to 950 nm. Temporal synchronization of the lasers has enabled several operating modes to be established which make optimal use of the complementary characteristics of each laser type. This flexibility of the system has presented several opportunities for additional atomic spectroscopy studies and ionization scheme development, whilst also enabling an increase in the number of operating hours for standard ion beam production. The extended capabilities of the dual-RILIS system are exemplified by the recent operational highlights. These include on-line ionization scheme development (At, Ca), measurements of ionization energies (At, Po), in-source resonance ionization spectroscopy of exotic isotopes (At, Au, Po), and the provision of a fibre-coupled narrow-linewidth Ti:sapphire beam for the on-line commissioning of the CRIS experiment (Fr). 相似文献
995.
996.
Optical Review - Optical fiber sensing techniques based on Brillouin scattering have been extensively studied for structural health monitoring owing to their capability of distributed strain and... 相似文献
997.
998.
Tetsuya Ezawa Yuya Kawashima Takuya Noguchi Seunghee Jung Nobuyuki Imai 《Tetrahedron: Asymmetry》2017,28(12):1690-1699
Primary amidations of carboxylic acids 1 or 3 with NH4Cl in the presence of ClCO2Et and Et3N were developed to afford the corresponding primary amides in 22% to quantitative yields. Additionally, we have applied the amidation to the preparation of various amides containing hydroxamic acids and achieved the synthesis of (1S,2R)-tranylcypromine as an antidepressant medicine via Lossen rearrangement. 相似文献
999.
A simple and rapid ultra‐high‐performance liquid chromatography–tandem mass spectrometry method to determine plasma biotin in hemodialysis patients 下载免费PDF全文
Shigeaki Yagi Manabu Nishizawa Itiro Ando Shiro Oguma Emiko Sato Yutaka Imai Masako Fujiwara 《Biomedical chromatography : BMC》2016,30(8):1285-1290
A simple, rapid, and selective method for determination of plasma biotin was developed using ultra‐high‐performance liquid chromatography–tandem mass spectrometry (UHPLC–MS/MS). After single‐step protein precipitation with methanol, biotin and stable isotope‐labeled biotin as an internal standard (IS) were chromatographed on a pentafluorophenyl stationary‐phase column (2.1 × 100 mm, 2.7 μm) under isocratic conditions using 10 mm ammonium formate–acetonitrile (93:7, v/v) at a flow rate of 0.6 mL/min. The total chromatographic runtime was 5 min for each injection. Detection was performed in a positive electrospray ionization mode by monitoring selected ion transitions at m/z 245.1/227.0 and 249.1/231.0 for biotin and the IS, respectively. The calibration curve was linear in the range of 0.05–2 ng/mL using 300 μL of plasma. The intra‐ and inter‐day precisions were all <7.1%. The accuracy varied from ?0.7 to 8.2%. The developed UHPLC–MS/MS method was successfully applied to determine plasma biotin concentrations in hemodialysis patients. Copyright © 2016 John Wiley & Sons, Ltd. 相似文献
1000.
Abstract New aromatic polyethers having inherent viscosities of 0.23-0.73 dL/g were synthesized from combinations of three tetraphenylated five-membered heterocycle-containing diols, 2,5-bis(4-hydroxyphenyl)-3,4-diphenyl-furan, -pyrrole, and -thiophene, and three activated aromatic dihalides, 4,4′-difluorobenzophenone, bis(4-hydroxy-phenyl) sulfone, and 2,6-difluorobenzonitrile, by aromatic nucleophilic substitution poly-condensation. These aromatic polyethers, which have an amorphous nature, were soluble in a wide range of organic solvents. They had glass transition temperatures in the 182 to 250°C range with no weight loss below 400°C in either air or nitrogen atmospheres. 相似文献